News and Notices regarding the EinsteinNMR Resource that are sent out by email are listed here:
Air dryer has been repaired and the air chillers for the Bruker 300 and 600 have been turned back on. The Bruker 300 and 600 can now be used to collect spectra below 298K if you need to.
ICONNMR has Temperature Control ON by default
The temperature of each dataset is read and set before the experiment is run .
PLEASE MAKE SURE THE “TE” VALUE IN THE “Edit Specific Parameters” PULLDOWN IS SET TO YOUR DESIRED TEMPERATURE!
NOTE: All AECOM.SmallMolecule and AECOM.Protein parameter files have TE=298K by default
the UPS inside the magnet lab underwent a failure on 2/17/2022 and went into bypass mode. The vendor has now fixed it and it is back online and everything seems to be running normally. As always, if the UPS alarm is on and I’m not around, please send me a txt or email (cell# is on the UPS unit which is the large grey cabinet to the right as you enter the magnet room).
the air dryer has been replaced and the air chillers to the NMR instruments have been turned back on. This means that NMR experiments can be run below ambient temperature (less than 298 K) if needed.
the annual cryoprobe service was done last week and passed sensitivity and lineshape specs. The base spectrometer frequency (BF) was changed from 600.13 to 600.01. The frequency needs to be changed every several years to account for the natural "downward" drift of the magnetic field. All Bruker parameter files have been updated with the new BF. I am updating all the in-house parameter sets that begin with AECOM. If you run IconNMR you do not need to do anything. If you use Bruker or "AECOM" parameter sets, you do not need to do anything. HOWEVER, if you use your own parameter sets to set-up experiments OR set-up new datasets from old ones made before the BF change, then you will need to do the following:
after you have created new dataset from old one or used "rpar" to read in your parameters, type "edasp" and then click on "default" button and then "save and return" button. The frequencies within the dataset will be updated.
After you run and process the data, the shift referencing will be off - you will have to re-reference on TMS, TSP, DSS, etc. or just type SR and set to 0 to apply no referencing.
It is encouraged for users to update their parameter sets if that is what they use to set-up experiments with (use the "wpar" command, click on the parameter set you wish to update then click on "write")
Please see me if you have any questions or concerns.
the new air dryer has been installed and tested and the VT air chillers to the Bruker 300 and 600 have been turned back on. This means users can set sample temperatures below ambient for their NMR experiments if needed.
As a reminder, the VT temperature range for the Bruker 600 cryoprobe is 0C to +80C (273K – 353K). The TopSpin temperature panel is set so the BCU chiller is on MEDIUM which cools the VT air to about 283K. If you need to go down to 273K, you will need to set the BCU to MAXIMUM cooling. Of course, do not go below 273K or above 353K or risk damaging the probe (there are limits set anyway to prevent this from happening).
NOTE: As per Einstein’s latest directive regarding return to regular operations, the EinsteinNMR core in Ullmann B-8 remains fully open for use with the following rules in effect:
“Masks will be required to enter any building, and must be worn at all times around campus, including in all public spaces, restrooms, elevators, stairwells, and while interacting with others.” Please wear a mask if others are present while you are at the EinsteinNMR core.
EHS has determined the mandatory maximum occupancy of the EinsteinNMR core in Ullmann B-8 to be 6 and this has been posted on the door.
Please remember to properly wash your hands before entering the facility and also after you leave – there is soap and paper towels at the lab sink as well as restrooms just outside of the lab. Please do not assume that any of the publicly used equipment such as spinners, keyboards, mouse, etc. has been sanitized before you use the equipment. It is the responsibility of each user to take care of themselves.
We now have a 3mm shuttle for the Bruker 600 SampleJet. Once the rack of 3mm tubes arrives, it will be tested and an update will be sent out on how to use it for high-throughput NMR of 3mm samples. A protocol will also be developed so users can use the Gilson to load 3mm tubes with sample. The 3mm shuttle will be a nice complement to our 5mm and 1.7mm shuttles and will allow users to study samples at lower concentration needed for the 1.7mm and lower sample volumes needed for the 5mm as well as having better salt tolerance than 5mm samples. A table with a comparison on sensitivity and volume needed for each tube size will be available after testing is done.
Please note that the SampleJet carousel on the Bruker AV600 does not support 5mm NMR tube lengths longer than 7 inches. You can still use 8 inch and 9 inch NMR tubes on the 300 and when using the 600 in manual mode but we suggest any purchases of 5mm NMR tubes in the future SHOULD NOT BE LONGER THAN 7 inches. Please contact us if you need recommendations on manufacturer/model for your NMR tube purchases.
Dear Colleagues: We are reorganizing the freezer and fridge storage associated with the Structural NMR Resource, and some associated with Mark Girvin’s lab. There are numerous samples, both in NMR tubes and in other containers from older projects. If you have an interest in having any of the materials returned to you, please tell one of us before May 30, 2019, indicating likely sample names, project name, and approximate dates. While we expect to freeze any possibly significant materials we can identify, it is likely that everything else will be disposed of. David and Sean
Hi everyone, Mnova is a popular software package from Mestrelab for processing, analyzing and plotting NMR data offline. A number of users here already use it but likely have older copies. We now have a campus license that will support up to 10 users at a time so users can download Mnova on their own computer and use it. Please be aware that zeus is used as the license server so you must be on the campus network when you use the software.
The instructions for installing Mnova on your computer are at:
Please contact me if you have any problems installing or running the software.
As always, many thanks to Al Tucker for setting up the license server for it.
Best regards, Sean
We have been getting errors more frequently when switching the SampleJet from manual to 5mm shuttle and back so to minimize changing mode until this gets resolved, we are encouraging users with 5mm NMR samples to use the 5mm shuttle mode. This will require putting a "samplejet" cap on your tube and loading your sample into the SampleJet - extra caps are kept by the computer - please feel free to take some and they are reusable.
Once a samplejet cap is on your tube, you can load it into the SampleJet as follows:
1. verify that SampleJet is in 5mm shuttle mode by pressing on the window menu "Change Operating Mode" and seeing which mode is highlighted - if the 5mm shuttle is not highlighted, press it and the SampleJet will switch to that mode
2. press on the window menu "load sample" and press a number corresponding to a slot you wish to load your sample into (slots 1-96 for 5mm tubes). The carousel will turn automatically so that the slot you've selected will be facing the door.
3. Open the SampleJet door and gently place your sample in the slot of the carousel. Close the door to complete the loading step.
Under topspin, use the command “sx ej” to eject the shuttle if a sample is already loaded in the magnet and use the command “sx xxx” where xxx is the SampleJet slot number your tube is at and it will load it into the magnet. Once your experiments are done, you can use the command "sx ej" to return your sample to the carousel. If you press on the window menu "load sample" and press the number corresponding to the slot your sample is at, the carousel will turn automatically so that the slot you've selected will now be facing the door and you can remove your sample.
Please see staff if you need help getting started.
EXCEPTIONS: users who use specialty tubes such as a shegemi tube will need to switch the SampleJet to manual mode to run and users who use 1.7mm tube racks will still need to switch to 1.7mm shuttle to run.